5QTQ
 
 | | PanDDA analysis group deposition -- Crystal Structure of NUDT5 in complex with FS-1169 | | 分子名称: | 1,2-ETHANEDIOL, 5-fluoroquinazolin-4(3H)-one, ADP-sugar pyrophosphatase, ... | | 著者 | Dubianok, Y, Krojer, T, Kovacs, H, Moriaud, F, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | 登録日 | 2019-08-14 | | 公開日 | 2019-12-25 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
|
|
4H87
 | |
1RE0
 | | Structure of ARF1-GDP bound to Sec7 domain complexed with Brefeldin A | | 分子名称: | 1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-4-ONE, ADP-ribosylation factor 1, ARF guanine-nucleotide exchange factor 1, ... | | 著者 | Goldberg, J, Mossessova, E. | | 登録日 | 2003-11-06 | | 公開日 | 2003-12-16 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal structure of ARF1*Sec7 complexed with Brefeldin A and its implications for the guanine nucleotide exchange mechanism.
Mol.Cell, 12, 2003
|
|
5QTM
 | | PanDDA analysis group deposition -- Crystal Structure of NUDT5 in complex with FS-2639 | | 分子名称: | 1,2-ETHANEDIOL, 7-fluoroquinazolin-4(3H)-one, ADP-sugar pyrophosphatase, ... | | 著者 | Dubianok, Y, Krojer, T, Kovacs, H, Moriaud, F, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | 登録日 | 2019-08-14 | | 公開日 | 2019-12-25 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
|
|
4BKT
 | | von Hippel Lindau protein:ElonginB:ElonginC complex, in complex with (2S,4R)-N-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide | | 分子名称: | (2S,4R)-N-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, ARGININE, GLUTAMIC ACID, ... | | 著者 | Van Molle, I, Dias, D.M, Baud, M, Galdeano, C, Geraldes, C.F.G.C, Ciulli, A. | | 登録日 | 2013-04-29 | | 公開日 | 2013-11-27 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Is NMR Fragment Screening Fine-Tuned to Assess Druggability of Protein-Protein Interactions?
Acs Med.Chem.Lett., 5, 2014
|
|
5QTT
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-{[5-amino-1-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate | | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | 著者 | Sheriff, S. | | 登録日 | 2019-10-16 | | 公開日 | 2019-12-25 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Potent, Orally Bioavailable and Efficacious Macrocyclic Inhibitors of Factor XIa. Discovery of Pyridine-Based Macrocycles Possessing Phenylazole Carboxamide P1 Groups.
J.Med.Chem., 63, 2019
|
|
5QTU
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-{[1-(3-chloro-2-fluorophenyl)-5-methyl-1H-imidazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate | | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | 著者 | Sheriff, S. | | 登録日 | 2019-10-16 | | 公開日 | 2019-12-25 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | | 主引用文献 | Potent, Orally Bioavailable and Efficacious Macrocyclic Inhibitors of Factor XIa. Discovery of Pyridine-Based Macrocycles Possessing Phenylazole Carboxamide P1 Groups.
J.Med.Chem., 63, 2019
|
|
5QTW
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1H-8,11-epimino-1,9-benzodiazacyclotridecine-2-carboxylate | | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | 著者 | Sheriff, S. | | 登録日 | 2019-11-13 | | 公開日 | 2020-01-29 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa.
Bioorg.Med.Chem.Lett., 30, 2020
|
|
4L47
 | | Crystal Structure of Frameshift Suppressor tRNA SufA6 Bound to Codon CCC-U on the Ribosome | | 分子名称: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | 著者 | Maehigashi, T, Dunkle, J.A, Dunham, C.M. | | 登録日 | 2013-06-07 | | 公開日 | 2014-08-06 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (3.220001 Å) | | 主引用文献 | Structural insights into +1 frameshifting promoted by expanded or modification-deficient anticodon stem loops.
Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
4NKP
 | |
3DTM
 | |
5QTV
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-8,11-epimino-1,9-benzodiazacyclotridecin-14-yl]carbamate | | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | 著者 | Sheriff, S. | | 登録日 | 2019-11-13 | | 公開日 | 2020-01-29 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa.
Bioorg.Med.Chem.Lett., 30, 2020
|
|
5QTS
 | | PanDDA analysis group deposition -- Crystal Structure of NUDT5 in complex with 8J-537S | | 分子名称: | 1,2-ETHANEDIOL, 3-methyl-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidin-4(3H)-one, ADP-sugar pyrophosphatase, ... | | 著者 | Dubianok, Y, Krojer, T, Kovacs, H, Moriaud, F, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | 登録日 | 2019-08-14 | | 公開日 | 2019-12-25 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
|
|
5QTY
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR ethyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-15-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecine-2-carboxylate | | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | 著者 | Sheriff, S. | | 登録日 | 2019-11-13 | | 公開日 | 2020-01-29 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa.
Bioorg.Med.Chem.Lett., 30, 2020
|
|
2OZG
 | |
4FOB
 | | Crystal structure of human anaplastic lymphoma kinase in complex with acyliminobenzimidazole inhibitor 1 | | 分子名称: | ALK tyrosine kinase receptor, N-{1-[cis-4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl}-3-(prop-2-en-1-ylsulfamoyl)benzamide | | 著者 | Whittington, D.A, Epstein, L.F, Chen, H. | | 登録日 | 2012-06-20 | | 公開日 | 2012-07-11 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The Discovery and Optimization of a Novel Class of Potent, Selective, and Orally Bioavailable Anaplastic Lymphoma Kinase (ALK) Inhibitors with Potential Utility for the Treatment of Cancer.
J.Med.Chem., 55, 2012
|
|
1QWN
 | | GOLGI ALPHA-MANNOSIDASE II Covalent Intermediate Complex with 5-fluoro-gulosyl-fluoride | | 分子名称: | (2R,3S,4R,5S)-2,6-difluoro-2-(hydroxymethyl)oxane-3,4,5-triol, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | 著者 | Numao, S, Kuntz, D.A, Withers, S.G, Rose, D.R. | | 登録日 | 2003-09-02 | | 公開日 | 2003-10-07 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Insights into the mechanism of Drosophila melanogaster Golgi alpha-mannosidase II through the structural analysis of covalent reaction intermediates.
J.Biol.Chem., 278, 2003
|
|
7JJN
 | | Eubacterium rectale Amy13B (EUR_01860) | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | | 著者 | Koropatkin, N.M, Cockburn, D.W, Cerqueira, F.M. | | 登録日 | 2020-07-27 | | 公開日 | 2021-06-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | The structures of the GH13_36 amylases from Eubacterium rectale and Ruminococcus bromii reveal subsite architectures that favor maltose production
Amylase, 4, 2020
|
|
1QNO
 | | The 3-D structure of a Trichoderma reesei b-mannanase from glycoside hydrolase family 5 | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ENDO-1,4-B-D-MANNANASE | | 著者 | Sabini, E, Schubert, H, Murshudov, G, Wilson, K.S, Siika-Aho, M, Penttila, M. | | 登録日 | 1999-10-20 | | 公開日 | 2000-10-22 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The Three-Dimensional Structure of a Trichoderma Reesei Beta-Mannanase from Glycoside Hydrolase Family 5.
Acta Crystallogr.,Sect.D, 56, 2000
|
|
4AQ0
 | | Structure of the Gh92 Family Glycosyl Hydrolase Ccman5 in complex with deoxymannojirimycin | | 分子名称: | 1-DEOXYMANNOJIRIMYCIN, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | | 著者 | Baranova, E, Tiels, P, Callewaert, N, Remaut, H. | | 登録日 | 2012-04-12 | | 公開日 | 2013-02-06 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | A Bacterial Glycosidase Enables Mannose-6-Phosphate Modification and Improved Cellular Uptake of Yeast-Produced Recombinant Human Lysosomal Enzymes.
Nat.Biotechnol., 30, 2012
|
|
2AKM
 | | Fluoride Inhibition of Enolase: Crystal Structure of the Inhibitory Complex | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Gamma enolase, MAGNESIUM ION, ... | | 著者 | Qin, J, Chai, G, Brewer, J.M, Lovelace, L.L. | | 登録日 | 2005-08-03 | | 公開日 | 2006-03-21 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Fluoride inhibition of enolase: crystal structure and thermodynamics
Biochemistry, 45, 2006
|
|
4NFU
 | | Structure of the central plant immunity signaling node EDS1 in complex with its interaction partner SAG101 | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, EDS1, ISOPROPYL ALCOHOL, ... | | 著者 | Wagner, S, Stuttmann, J, Rietz, S, Guerois, R, Niefind, K, Parker, J.E. | | 登録日 | 2013-11-01 | | 公開日 | 2013-12-11 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Structural Basis for Signaling by Exclusive EDS1 Heteromeric Complexes with SAG101 or PAD4 in Plant Innate Immunity.
Cell Host Microbe, 14, 2013
|
|
5QXO
 | | PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF848 | | 分子名称: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ... | | 著者 | Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. | | 登録日 | 2020-02-11 | | 公開日 | 2020-04-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening
To Be Published
|
|
5QXZ
 | | PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF853 | | 分子名称: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ... | | 著者 | Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. | | 登録日 | 2020-02-11 | | 公開日 | 2020-04-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening
To Be Published
|
|
1HHJ
 | | THE ANTIGENIC IDENTITY OF PEPTIDE(SLASH)MHC COMPLEXES: A COMPARISON OF THE CONFORMATION OF FIVE PEPTIDES PRESENTED BY HLA-A2 | | 分子名称: | BETA 2-MICROGLOBULIN, CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A*0201) (ALPHA CHAIN), HIV-1 REVERSE TRANSCRIPTASE (RESIDUES 309-317) | | 著者 | Madden, D.R, Garboczi, D.N, Wiley, D.C. | | 登録日 | 1993-06-30 | | 公開日 | 1993-10-31 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | The antigenic identity of peptide-MHC complexes: a comparison of the conformations of five viral peptides presented by HLA-A2.
Cell(Cambridge,Mass.), 75, 1993
|
|
